SCHEMBL7519643

SCHEMBL7519643

C[C@@H]1C(=O)c2ccc(Cl)cc2O[C@@]1(O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.39
CYP19A1 P11511 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AKR1B1 P15121 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A9 P48067 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
CHRNB2 P17787 6/20 0.34
SLC6A2 P23975 6/20 0.34
CHRNB4 P30926 6/20 0.34
CHRNA3 P32297 6/20 0.34
CHRNA4 P43681 6/20 0.34
SLC6A3 Q01959 6/20 0.34
CHRNA1 P02708 5/20 0.34
CHRNB1 P11230 5/20 0.34
SLC6A4 P31645 4/20 0.34
CHRNG P07510 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7523465 1.00 MAP3K14 (0.39) MAP3K14CYP19A1CRHBPCRHR2AKR1B1
SCHEMBL7522670 0.90 CYP19A1 (0.44) MAP3K14CYP19A1CRHBPCRHR2AKR1B1
SCHEMBL7521049 0.85 CYP19A1 (0.46) CYP19A1CRHBPCRHR2CYP3A4ALOX15
SCHEMBL7520858 0.85 KDM4E (0.43) CYP19A1CRHBPCRHR2MAPT
SCHEMBL7520344 0.84 RET (0.45) CYP3A4ALOX15RETKDRCHRNB2
SCHEMBL7521156 0.83 CYP19A1 (0.50) CYP19A1CRHBPCRHR2MAPTTP53
SCHEMBL7527043 0.83 CHRNA1 (0.45) CYP3A4ALOX15RETKDRCHRNB2
SCHEMBL7519457 0.77 TP53 (0.40) CYP19A1MAPTTP53
SCHEMBL7526818 0.77 CYP19A1 (0.45) CYP19A1CRHBPCRHR2AKR1B1CYP3A4
SCHEMBL7520904 0.77 CYP19A1 (0.45) CYP19A1CRHBPCRHR2AKR1B1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743311-B1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 2002-02-13 EP disclosed
US-5876703-A CELL DIFFERENTIATION OF HAIR MATRIX CELLS KAO CORPORATION (JP) 1999-03-02 US disclosed
US-5702691-A Flavanonol derivatives and hair-nourishing, hair growing compositions containing the derivatives KAO CORPORATION (JP) 1997-12-30 US disclosed
EP-0743311-A1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1996-11-20 EP disclosed